9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione

C17H19FN2O4 — CID 91782284

IUPAC9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCN(C(=O)C(O)c3ccc(F)cc3)CC2)CC(=O)N1
InChIInChI=1S/C17H19FN2O4/c18-12-3-1-11(2-4-12)15(23)16(24)20-7-5-17(6-8-20)9-13(21)19-14(22)10-17/h1-4,15,23H,5-10H2,(H,19,21,22)
InChIKeyQRZOCXNPEMOKNT-UHFFFAOYSA-N
MW334.35 g/mol
LogP0.90
Rot. Bonds2

About 9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione

9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione (PubChem CID 91782284) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione
PubChem CID91782284
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCN(C(=O)C(O)c3ccc(F)cc3)CC2)CC(=O)N1
InChIInChI=1S/C17H19FN2O4/c18-12-3-1-11(2-4-12)15(23)16(24)20-7-5-17(6-8-20)9-13(21)19-14(22)10-17/h1-4,15,23H,5-10H2,(H,19,21,22)
InChIKeyQRZOCXNPEMOKNT-UHFFFAOYSA-N
XLogP0.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone
CID 82127986
1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70768044
2-(4-fluorophenyl)-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 134506544
9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97133136
1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164696098
(2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
CID 46215888
(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97140073
2-(4-fluorophenyl)-2-hydroxy-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 134714283
9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97113341
4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 96576520
9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 155579356
tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 130404438

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione (CID 91782284) is 9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione is O=C1CC2(CCN(C(=O)C(O)c3ccc(F)cc3)CC2)CC(=O)N1.
What is the InChIKey of 9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione?
The InChIKey is QRZOCXNPEMOKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c18-12-3-1-11(2-4-12)15(23)16(24)20-7-5-17(6-8-20)9-13(21)19-14(22)10-17/h1-4,15,23H,5-10H2,(H,19,21,22).
What are the key properties of 9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione?
9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione has a molecular weight of 334.35 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 91782284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).